1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine

C14H22F2N2 — CID 107513536

IUPAC1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
SMILESCNC(c1ccc(C)c(F)c1F)C(C)(C)N(C)C
InChIInChI=1S/C14H22F2N2/c1-9-7-8-10(12(16)11(9)15)13(17-4)14(2,3)18(5)6/h7-8,13,17H,1-6H3
InChIKeyCYUIUKATHFCEEG-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.87
Rot. Bonds4

About 1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine

1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine (PubChem CID 107513536) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
PubChem CID107513536
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
SMILESCNC(c1ccc(C)c(F)c1F)C(C)(C)N(C)C
InChIInChI=1S/C14H22F2N2/c1-9-7-8-10(12(16)11(9)15)13(17-4)14(2,3)18(5)6/h7-8,13,17H,1-6H3
InChIKeyCYUIUKATHFCEEG-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79053713
1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 107513554
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
1-N,2-N,2-N,2-tetramethyl-1-(4-methyl-3-pyridinyl)propane-1,2-diamine
CID 79053905
1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79743384
1-(3-fluoro-5-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79704721
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79052895
[1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 107516698
1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 107513729
1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 103523425
1-N-ethyl-1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053416

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine (CID 107513536) is 1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine is CNC(c1ccc(C)c(F)c1F)C(C)(C)N(C)C.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The InChIKey is CYUIUKATHFCEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-9-7-8-10(12(16)11(9)15)13(17-4)14(2,3)18(5)6/h7-8,13,17H,1-6H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine is sourced from PubChem (CID 107513536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).